SCHEMBL9048459

SCHEMBL9048459

CC(NCc1ccccc1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.50
SLC6A2 P23975 7/20 0.50
SLC6A3 Q01959 2/20 0.48
SIGMAR1 Q99720 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CXCR4 P61073 1/20 0.43
OPRD1 P41143 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9538318 0.83 SIGMAR1 (0.49) SIGMAR1MEN1KMT2APOLB
SCHEMBL8522922 0.77 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL6618819 0.75 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL10913131 0.75 KMT2A (0.50) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL10316558 0.74 SIGMAR1 (0.50) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL8636249 0.74 ALDH1A1 (0.45) MEN1KMT2AACHEPOLB
SCHEMBL3389599 0.71 CHRM5 (0.35) SLC6A4SLC6A2SIGMAR1MEN1KMT2A
SCHEMBL14141763 0.71 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
Hydrochloric Acid SCHEMBL11384741 0.71 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL27878470 0.71 ALDH1A1 (0.49) SLC6A4SLC6A2SLC6A3MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 US disclosed